SCHEMBL31044609

SCHEMBL31044609

C#Cc1cc(F)c(CBr)c(F)c1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20066493 0.77 HDAC8 (0.33) CYP1A1CYP1B1
SCHEMBL13958713 0.77 PDK2 (0.33) CYP1A1CYP1B1
SCHEMBL603677 0.77 TTR (0.37)
SCHEMBL590849 0.72 KDM4E (0.34)
SCHEMBL189364 0.72 RAPGEF4 (0.33)
SCHEMBL2782697 0.72 CES2 (0.36) CYP1A1CYP1B1
SCHEMBL23212683 0.71 NPC1 (0.37)
SCHEMBL601770 0.70 DGAT1 (0.31)
SCHEMBL9793646 0.70 CYP1A1 (0.34) CYP1A1CYP1B1
SCHEMBL578952 0.70 MEN1 (0.30)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285873-B RET inhibitor, pharmaceutical composition thereof and application thereof 广东东阳光药业股份有限公司 2024-10-15 CN disclosed
CN-111285874-B RET inhibitor, pharmaceutical composition thereof and application thereof 广东东阳光药业股份有限公司 2024-08-09 CN disclosed